Ticagrelor acetonide

CAS No. 274693-26-4
Cat. No. CS-M1750
Molecule weight562.63
Purity≥98%
MDL No.MFCD23160137

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 274693-26-4
Cat. No. CS-M1750
Purity ≥98%
MDL No. MFCD23160137
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₆H₃₂F₂N₆O₄S
Molecular Weight 562.63
Synonym(s) Isopropylidene ticagrelor
SMILES OCCO[C@H]1C[C@@H](N2C(N=C(SCCC)N=C3N[C@H]4[C@H](C5=CC=C(F)C(F)=C5)C4)=C3N=N2)[C@H]6[C@@H]1OC(C)(C)O6

Description

This complex triazolopyrimidine derivative features a sterically hindered cyclopentadione core linked to a difluorophenylcyclopropyl amine and a propylthio group, delivering enhanced metabolic stability. The pendant ethylene glycol side chain improves solubility while maintaining robust bioavailability. Designed for precision in medicinal chemistry applications, it serves as a high-performance scaffold in targeted kinase inhibitor development under standard bench conditions.

Application

This compound serves as a versatile building block for triazolopyrimidine-based scaffolds, enabling efficient construction of bioactive heterocycles through standard functional group manipulations. Its bench-stable structure features orthogonal reactivity, facilitating downstream coupling and derivatization in medicinal chemistry workflows. The difluorophenylcyclopropyl moiety enhances metabolic stability, while the tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl ether linkage supports robust handling and purification.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 116.44
LogP 3.812
H_Acceptors 11
H_Donors 2
Rotatable_Bonds 10

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Thioether

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Dioxolane compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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Ticagrelor acetonide

CAS No. 274693-26-4

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